2-(3-methylphenoxy)ethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(3-methylphenoxy)ethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-(3-methylphenoxy)ethyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid 2-(3-methylphenoxy)ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCOC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCOC3=CC=CC(=C3)C

InChI

InChI=1S/C22H27NO5S/c1-17-6-8-21(9-7-17)29(25,26)23-12-10-19(11-13-23)22(24)28-15-14-27-20-5-3-4-18(2)16-20/h3-9,16,19H,10-15H2,1-2H3